1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine

C11H14ClNO3 — CID 117361151

IUPAC1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine
SMILESCONCc1c(C)cc2c(c1Cl)OCCO2
InChIInChI=1S/C11H14ClNO3/c1-7-5-9-11(16-4-3-15-9)10(12)8(7)6-13-14-2/h5,13H,3-4,6H2,1-2H3
InChIKeyWMLZKXKMVRJZKH-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.07
Rot. Bonds3

About 1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine

1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine (PubChem CID 117361151) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine
PubChem CID117361151
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine
SMILESCONCc1c(C)cc2c(c1Cl)OCCO2
InChIInChI=1S/C11H14ClNO3/c1-7-5-9-11(16-4-3-15-9)10(12)8(7)6-13-14-2/h5,13H,3-4,6H2,1-2H3
InChIKeyWMLZKXKMVRJZKH-UHFFFAOYSA-N
XLogP2.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-N-methoxymethanamine
CID 117361150
N-methoxy-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 117298672
2-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117392753
1-[(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117454647
1-(6-chloro-4-methyl-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 117331375
7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine
CID 84714678
1-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]-N-methoxymethanamine
CID 117391054
1-(5-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methoxymethanamine
CID 117359360
6-chloro-4-[(methoxyamino)methyl]-1,3-benzodioxol-5-ol
CID 117335285
O-[(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117331328
(E)-3-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine
CID 117351883
1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
CID 117292243

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine?
The IUPAC name of 1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine (CID 117361151) is 1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine is CONCc1c(C)cc2c(c1Cl)OCCO2.
What is the InChIKey of 1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine?
The InChIKey is WMLZKXKMVRJZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7-5-9-11(16-4-3-15-9)10(12)8(7)6-13-14-2/h5,13H,3-4,6H2,1-2H3.
What are the key properties of 1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine?
1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine has a molecular weight of 243.69 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine is sourced from PubChem (CID 117361151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).